Catalog Number:
AG00IDCV
Chemical Name:
Benzoic acid,2-chloro-5-[2,3,4,6-tetrakis-O-(phenylmethyl)-b-D-glucopyranosyl]-
CAS Number:
842133-80-6
Molecular Formula:
C41H39ClO7
Molecular Weight:
679.1972
IUPAC Name:
2-chloro-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzoic acid
InChI:
InChI=1S/C41H39ClO7/c42-35-22-21-33(23-34(35)41(43)44)37-39(47-26-31-17-9-3-10-18-31)40(48-27-32-19-11-4-12-20-32)38(46-25-30-15-7-2-8-16-30)36(49-37)28-45-24-29-13-5-1-6-14-29/h1-23,36-40H,24-28H2,(H,43,44)/t36-,37+,38-,39+,40+/m1/s1
InChI Key:
AHASAGYREFLQPR-CSISHVCHSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
